Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.56 |
| ▸ | TSHR | P16473 | 7/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Potassium Ion SCHEMBL9760509 | 0.96 | MAPT (0.56) | MAPTTSHRHSD17B10CYP3A4HPGD | |
| SCHEMBL557939 | 0.78 | TSHR (0.72) | MAPTTSHRHSD17B10CYP3A4HPGD | |
| SCHEMBL11293963 | 0.78 | MAPT (0.60) | MAPTTSHRHSD17B10CYP3A4HPGD | |
| SCHEMBL2948384 | 0.77 | TSHR (0.69) | MAPTTSHRHSD17B10CYP3A4HPGD | |
| SCHEMBL7662542 | 0.77 | MAPT (0.58) | MAPTTSHRHSD17B10CYP3A4HPGD | |
| Potassium Ion SCHEMBL9222617 | 0.76 | TSHR (0.56) | MAPTTSHRHSD17B10CYP3A4HPGD | |
| SCHEMBL845718 | 0.75 | ALDH1A1 (0.71) | MAPTTSHRHSD17B10CYP3A4HPGD | |
| SCHEMBL359844 | 0.75 | TSHR (0.64) | MAPTTSHRHSD17B10CYP3A4HPGD | |
| SCHEMBL10830717 | 0.75 | CYP19A1 (0.50) | MAPTTSHRCYP3A4ALDH1A1TDP1 | |
| SCHEMBL10830425 | 0.75 | TSHR (0.64) | MAPTTSHRHSD17B10CYP3A4HPGD |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4028439-A | QUATERNARY AMMONIUM SALT AND IMIDAZOLE CATALYSTS | THE DOW CHEMICAL COMPANY (US) | 1977-06-07 | — | — | US | claimed |
| US-4603222-A | Method for the preparation of nitrodiphenyl ethers | OCCIDENTAL CHEMICAL CORPORATION (US) | 1986-07-29 | — | — | US | disclosed |
| EP-0173349-A1 | Method for the preparation of nitrodiphenyl ethers | OCCIDENTAL CHEMICAL CORPORATION (US) | 1986-03-05 | — | — | EP | disclosed |